3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

C16H12Cl2F3NO — CID 100605483

IUPAC3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO/c17-12-6-4-10(14(18)9-12)5-7-15(23)22-13-3-1-2-11(8-13)16(19,20)21/h1-4,6,8-9H,5,7H2,(H,22,23)
InChIKeyXKYCFVRKEYEVEO-UHFFFAOYSA-N
MW362.18 g/mol
LogP5.58
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 100605483) has the molecular formula C16H12Cl2F3NO and a molecular weight of 362.18 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID100605483
Molecular FormulaC16H12Cl2F3NO
Molecular Weight362.18 g/mol
Exact Mass361.02
IUPAC Name3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO/c17-12-6-4-10(14(18)9-12)5-7-15(23)22-13-3-1-2-11(8-13)16(19,20)21/h1-4,6,8-9H,5,7H2,(H,22,23)
InChIKeyXKYCFVRKEYEVEO-UHFFFAOYSA-N
XLogP5.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.18
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 94848227
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529
1-[(2,4-dichlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19649602
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 100605483) is 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(Cl)cc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XKYCFVRKEYEVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO/c17-12-6-4-10(14(18)9-12)5-7-15(23)22-13-3-1-2-11(8-13)16(19,20)21/h1-4,6,8-9H,5,7H2,(H,22,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 362.18 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 100605483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).